Information card for entry 4038751

Structure parameters

• Formula: C11 H10 F3 N O
• Calculated formula: C11 H10 F3 N O
• Title of publication: Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.
• Authors of publication: Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12692 - 12702
• a: 8.6036 ± 0.0013 Å
• b: 11.7912 ± 0.0019 Å
• c: 21.27 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.8 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No